Glycoside
GD124692
Name:
methyl 5-hydroxy-4a,7-dimethyl-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4aH,5H,7aH-cyclopenta[c]pyran-4-carboxylateFormula:
C18H26O10Smiles:
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C2C(C)=CC(O)C12CAglycone:
COC(=O)C1=COC(O)C2C(C)=CC(O)C12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -1.84 | Num_rotatable_bonds: | 4 |
| MolWt: | 402.4 | Num_heavy_atoms: | 28 |
| TPSA: | 155.14 | NumAromaticRings: | 0 |
Unique Aglycone
AD50388
Formula: C12H16O5
Smiles:
COC(=O)C1=COC(O)C2C(C)=CC(O)C12C| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.58 |
| AlogP: | 0.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 240.25 | Num_heavy_atoms: | 17 |
| TPSA: | 75.99 | NumAromaticRings: | 0 |
